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A1B7V

Summary
Name:5-({N-[(2,3-dichlorophenyl)methyl]-3,5-difluorobenzamido}methyl)pyridine-2-carboxylic acid
Formula:C21 H14 Cl2 F2 N2 O3
Formal charge:0
Formula weight:451.25 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.525-({N-[(2,3-dichlorophenyl)methyl]-3,5-difluorobenzamido}methyl)pyridine-2-carboxylic acid
OpenEye OEToolkits3.1.0.05-[[[2,3-bis(chloranyl)phenyl]methyl-[3,5-bis(fluoranyl)phenyl]carbonyl-amino]methyl]pyridine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OC(=O)c1ccc(CN(Cc2cccc(Cl)c2Cl)C(=O)c2cc(F)cc(F)c2)cn1
InChIInChI1.06InChI=1S/C21H14Cl2F2N2O3/c22-17-3-1-2-13(19(17)23)11-27(10-12-4-5-18(21(29)30)26-9-12)20(28)14-6-15(24)8-16(25)7-14/h1-9H,10-11H2,(H,29,30)
InChIKeyInChI1.06XEMOPYVMWRMQKB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(CN(Cc2cccc(Cl)c2Cl)C(=O)c3cc(F)cc(F)c3)cn1
SMILESCACTVS3.385OC(=O)c1ccc(CN(Cc2cccc(Cl)c2Cl)C(=O)c3cc(F)cc(F)c3)cn1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(c(c1)Cl)Cl)CN(Cc2ccc(nc2)C(=O)O)C(=O)c3cc(cc(c3)F)F
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(c(c1)Cl)Cl)CN(Cc2ccc(nc2)C(=O)O)C(=O)c3cc(cc(c3)F)F

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PDB entries from 2026-06-24

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